2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid

C11H15NO4 — CID 15525620

IUPAC2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid
SMILESCOC(=O)N1C=CC(C(C)(C)C(=O)O)C=C1
InChIInChI=1S/C11H15NO4/c1-11(2,9(13)14)8-4-6-12(7-5-8)10(15)16-3/h4-8H,1-3H3,(H,13,14)
InChIKeyHSKZAIQWRNEWJA-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.82
Rot. Bonds2

About 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid

2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid (PubChem CID 15525620) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid
PubChem CID15525620
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid
SMILESCOC(=O)N1C=CC(C(C)(C)C(=O)O)C=C1
InChIInChI=1S/C11H15NO4/c1-11(2,9(13)14)8-4-6-12(7-5-8)10(15)16-3/h4-8H,1-3H3,(H,13,14)
InChIKeyHSKZAIQWRNEWJA-UHFFFAOYSA-N
XLogP1.82
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(1-methoxy-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate
CID 13122726
2-(1-acetyl-4H-pyridin-4-yl)acetic acid
CID 101540814
2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid
CID 101482130
methyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate
CID 14918496
2-(1-methoxycarbonyl-4H-pyridin-4-yl)-3-methylbutanoic acid
CID 11536029
2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-trimethylsilylacetic acid
CID 11536332
2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid
CID 11550352
2-(1-methoxycarbonyl-4H-pyridin-4-yl)hex-5-enoic acid
CID 11550571
2-(1-methoxycarbonyl-2-methyl-4H-pyridin-4-yl)-2-methylpropanoic acid
CID 11579588
2-(1-methoxycarbonyl-4H-pyridin-4-yl)acetic acid
CID 11593610
2-(1-methoxycarbonyl-4H-pyridin-4-yl)pent-4-enoic acid
CID 11615618
2-(2-ethenyl-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid
CID 11615777

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid (CID 15525620) is 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid is COC(=O)N1C=CC(C(C)(C)C(=O)O)C=C1.
What is the InChIKey of 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid?
The InChIKey is HSKZAIQWRNEWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-11(2,9(13)14)8-4-6-12(7-5-8)10(15)16-3/h4-8H,1-3H3,(H,13,14).
What are the key properties of 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid?
2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid is sourced from PubChem (CID 15525620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).